SCHEMBL6612124

SCHEMBL6612124

CCc1onc(C)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 5/20 0.37
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
GPX4 P36969 1/20 0.35
LMNA P02545 3/20 0.35
PABPC1 P11940 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PTGS1 P23219 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14976523 0.79 MAPT (0.34) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14986110 0.78 MEN1 (0.35) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14985966 0.76 MEN1 (0.33) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14986051 0.76 MAPT (0.33) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL16226202 0.76 MEN1 (0.33) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL27966686 0.76 MAPT (0.33) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL1328626 0.75 KMT2A (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14986127 0.75 MAPT (0.34) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14976616 0.75 MAPT (0.34) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL16232514 0.74 MAPT (0.32) MAPTKMT2AMEN1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261605-B1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2004-11-10 EP disclosed
EP-1261605-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-04 EP disclosed
US-6403791-B1 TREATMENT OF INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES IN HUMANS OR ANIMALS DARWIN DISCOVERY, LTD. (GB) 2002-06-11 US disclosed
WO-2001058896-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO disclosed